Geometry & MOs

Info

ID:	238036
PubChem CID:	92728904
Reduced:	ClN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-71.57
Dipole, Da:	5.84
IP(EA), eV:	-9.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(butanoylamino)benzoyl]-N-cycloheptylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations